N-butyl-4-(octanoylcarbamothioylamino)benzamide

Systemtic Name: N-butyl-4-(octanoylcarbamothioylamino)benzamide Openeye Name: N-butyl-4-(octanoylcarbamothioylamino)benzamide CAS Name: N-butyl-4-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-(octanoylcarbamothioylamino)benzamide Traditional Name: N-butyl-4-(caprylylthiocarbamoylamino)benzamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)NCCCC

InChI

InChI=1S/C20H31N3O2S/c1-3-5-7-8-9-10-18(24)23-20(26)22-17-13-11-16(12-14-17)19(25)21-15-6-4-2/h11-14H,3-10,15H2,1-2H3,(H,21,25)(H2,22,23,24,26)